N-[(1-butyl-3-oxidanyl-piperidin-4-yl)methyl]-8-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: N-[(1-butyl-3-oxidanyl-piperidin-4-yl)methyl]-8-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[(1-butyl-3-hydroxy-4-piperidyl)methyl]-8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[(1-butyl-3-hydroxy-4-piperidinyl)methyl]-8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[(1-butyl-3-hydroxypiperidin-4-yl)methyl]-8-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[(1-butyl-3-hydroxy-4-piperidyl)methyl]-8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)O)CNC(=O)C2=CC(=CC3=C2OCCCO3)Cl

Isomeric SMILES

CCCCN1CCC(C(C1)O)CNC(=O)C2=CC(=CC3=C2OCCCO3)Cl

InChI

InChI=1S/C20H29ClN2O4/c1-2-3-6-23-7-5-14(17(24)13-23)12-22-20(25)16-10-15(21)11-18-19(16)27-9-4-8-26-18/h10-11,14,17,24H,2-9,12-13H2,1H3,(H,22,25)